(4R)-4-(1,1-difluoroethyl)azetidin-2-one

C5H7F2NO — CID 89257991

IUPAC(4R)-4-(1,1-difluoroethyl)azetidin-2-one
SMILESCC(F)(F)[C@H]1CC(=O)N1
InChIInChI=1S/C5H7F2NO/c1-5(6,7)3-2-4(9)8-3/h3H,2H2,1H3,(H,8,9)/t3-/m1/s1
InChIKeyCGCUKNQAVGTXKS-GSVOUGTGSA-N
MW135.11 g/mol
LogP0.53
Rot. Bonds1

About (4R)-4-(1,1-difluoroethyl)azetidin-2-one

(4R)-4-(1,1-difluoroethyl)azetidin-2-one (PubChem CID 89257991) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is (4R)-4-(1,1-difluoroethyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1,1-difluoroethyl)azetidin-2-one
PubChem CID89257991
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name(4R)-4-(1,1-difluoroethyl)azetidin-2-one
SMILESCC(F)(F)[C@H]1CC(=O)N1
InChIInChI=1S/C5H7F2NO/c1-5(6,7)3-2-4(9)8-3/h3H,2H2,1H3,(H,8,9)/t3-/m1/s1
InChIKeyCGCUKNQAVGTXKS-GSVOUGTGSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,1-difluoroethyl)azetidin-2-one?
The IUPAC name of (4R)-4-(1,1-difluoroethyl)azetidin-2-one (CID 89257991) is (4R)-4-(1,1-difluoroethyl)azetidin-2-one.
What is the SMILES notation for (4R)-4-(1,1-difluoroethyl)azetidin-2-one?
The canonical SMILES for (4R)-4-(1,1-difluoroethyl)azetidin-2-one is CC(F)(F)[C@H]1CC(=O)N1.
What is the InChIKey of (4R)-4-(1,1-difluoroethyl)azetidin-2-one?
The InChIKey is CGCUKNQAVGTXKS-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7F2NO/c1-5(6,7)3-2-4(9)8-3/h3H,2H2,1H3,(H,8,9)/t3-/m1/s1.
What are the key properties of (4R)-4-(1,1-difluoroethyl)azetidin-2-one?
(4R)-4-(1,1-difluoroethyl)azetidin-2-one has a molecular weight of 135.11 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,1-difluoroethyl)azetidin-2-one is sourced from PubChem (CID 89257991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).